ethyl 3-[[1-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[1-[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]-4-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-[2-(4-keto-3H-phthalazin-1-yl)acetyl]isonipecotoyl]amino]benzoic acid ethyl ester Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C25H26N4O5/c1-2-34-25(33)17-6-5-7-18(14-17)26-23(31)16-10-12-29(13-11-16)22(30)15-21-19-8-3-4-9-20(19)24(32)28-27-21/h3-9,14,16H,2,10-13,15H2,1H3,(H,26,31)(H,28,32)